1-methyl-N-pyrrolidin-3-ylpyrrole-3-carboxamide

C10H15N3O — CID 83619398

IUPAC1-methyl-N-pyrrolidin-3-ylpyrrole-3-carboxamide
SMILESCn1ccc(C(=O)NC2CCNC2)c1
InChIInChI=1S/C10H15N3O/c1-13-5-3-8(7-13)10(14)12-9-2-4-11-6-9/h3,5,7,9,11H,2,4,6H2,1H3,(H,12,14)
InChIKeyJKTOACGMTLHZOG-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.12
Rot. Bonds2

About 1-methyl-N-pyrrolidin-3-ylpyrrole-3-carboxamide

1-methyl-N-pyrrolidin-3-ylpyrrole-3-carboxamide (PubChem CID 83619398) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-methyl-N-pyrrolidin-3-ylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-pyrrolidin-3-ylpyrrole-3-carboxamide
PubChem CID83619398
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name1-methyl-N-pyrrolidin-3-ylpyrrole-3-carboxamide
SMILESCn1ccc(C(=O)NC2CCNC2)c1
InChIInChI=1S/C10H15N3O/c1-13-5-3-8(7-13)10(14)12-9-2-4-11-6-9/h3,5,7,9,11H,2,4,6H2,1H3,(H,12,14)
InChIKeyJKTOACGMTLHZOG-UHFFFAOYSA-N
XLogP0.12
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119449499
4-hydroxy-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689032
4-chloro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 79685775
4-ethyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689710
4-bromo-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453836
6-oxo-N-pyrrolidin-3-ylpyran-3-carboxamide
CID 62379515
1-methyl-N-[(3S)-pyrrolidin-3-yl]pyrazole-3-carboxamide
CID 103120955
N-pyrrolidin-3-yl-4-pyrrol-1-ylbenzamide
CID 82176966
3,4-dihydroxy-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 107728777
3-iodo-4-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119454037
3-bromo-4-methyl-N-pyrrolidin-3-ylbenzamide
CID 81472649
N-cyclopropyl-4-(pyrrolidin-3-ylamino)benzamide
CID 79724165

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-pyrrolidin-3-ylpyrrole-3-carboxamide?
The IUPAC name of 1-methyl-N-pyrrolidin-3-ylpyrrole-3-carboxamide (CID 83619398) is 1-methyl-N-pyrrolidin-3-ylpyrrole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-pyrrolidin-3-ylpyrrole-3-carboxamide?
The canonical SMILES for 1-methyl-N-pyrrolidin-3-ylpyrrole-3-carboxamide is Cn1ccc(C(=O)NC2CCNC2)c1.
What is the InChIKey of 1-methyl-N-pyrrolidin-3-ylpyrrole-3-carboxamide?
The InChIKey is JKTOACGMTLHZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-13-5-3-8(7-13)10(14)12-9-2-4-11-6-9/h3,5,7,9,11H,2,4,6H2,1H3,(H,12,14).
What are the key properties of 1-methyl-N-pyrrolidin-3-ylpyrrole-3-carboxamide?
1-methyl-N-pyrrolidin-3-ylpyrrole-3-carboxamide has a molecular weight of 193.25 g/mol, XLogP of 0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-pyrrolidin-3-ylpyrrole-3-carboxamide is sourced from PubChem (CID 83619398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).